2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid

C15H22N2O2 — CID 62085076

IUPAC2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)(C)C1CCN(c2ncccc2C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-6-9-17(10-7-11)13-12(14(18)19)5-4-8-16-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyZNSOSONCMZZZIK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid

2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 62085076) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID62085076
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)(C)C1CCN(c2ncccc2C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)11-6-9-17(10-7-11)13-12(14(18)19)5-4-8-16-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyZNSOSONCMZZZIK-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 60965985
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 94283741
2-[3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 121201168
(2-amino-3-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62160129
2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496225
2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129499940
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496223
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 62085076) is 2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid is CC(C)(C)C1CCN(c2ncccc2C(=O)O)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is ZNSOSONCMZZZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)11-6-9-17(10-7-11)13-12(14(18)19)5-4-8-16-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid?
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62085076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).